Acetic acid, ((1,1'-biphenyl)-4-yloxy)-, 2-(((3-methylphenyl)amino)thioxomethyl)hydrazide
Basic information
- CAS
126006-77-7- Standard SMILES
Cc1cccc(NC(=S)NNC(=O)COc2ccc(-c3ccccc3)cc2)c1- InChIKey
NIYHMWCXYSAQIL-UHFFFAOYSA-N- Molecular formula
- C22H21N3O2S
- Average molar mass
- 391.5 g/mol
- Monoisotopic mass
- 391.13544809
Names & identifiers
- Preferred name
- Acetic acid, ((1,1'-biphenyl)-4-yloxy)-, 2-(((3-methylphenyl)amino)thioxomethyl)hydrazide
- IUPAC
- 1-(3-methylphenyl)-3-[[2-(4-phenylphenoxy)acetyl]amino]thiourea
Names & synonyms
Acetic acid, ((1,1'-biphenyl)-4-yloxy)-, 2-(((3-methylphenyl)amino)thioxomethyl)hydrazide126006-77-7((1,1'-Biphenyl)-4-yloxy)acetic acid 2-(((3-methylphenyl)amino)thioxomethyl)hydrazideDTXSID60155045RefChem:315857DTXCID80775362-{[([1,1'-Biphenyl]-4-yl)oxy]acetyl}-N-(3-methylphenyl)hydrazine-1-carbothioamide
Database identifiers
- CAS
126006-77-7- PubChem CID
- 3079552
- DTXSID
DTXSID60155045
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 502
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Compound notes
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